Geometry & MOs

Info

ID:	336497
PubChem CID:	127255504
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	138.060058
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	1.76
IP(EA), eV:	-9.64(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylpyridazin-4-yl)boronic acid

Drug info:

PubChemData

Smile

C=C[C@H]1C[C@@H]2[C@H]3C[C@@H]([C@@H]2[C@H]1CO)C=C3

DOS

IR

Vibrations